2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole

C140H80N14O4S2 — CID 155366256

IUPAC2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15cccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17cccc(-n%18c%19ccccc%19c%19ccccc%19%18)c%17)nc%15%16)cc%14s%13)ccc%11n%12-c%11nc%12ccccc%12n%11-c%11ccccc%11)oc%10cc9-c9ccccc9)c8)cc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C140H80N14O4S2/c1-5-26-81(27-6-1)84-50-59-112-128(75-84)157-134(142-112)89-55-64-120-105(70-89)107-73-92(57-66-122(107)153(120)139-146-109-41-15-20-46-124(109)151(139)94-32-9-3-10-33-94)137-144-113-60-51-85(76-130(113)159-137)83-30-23-31-86(68-83)101-79-115-129(80-102(101)82-28-7-2-8-29-82)158-135(143-115)90-56-65-121-106(71-90)108-74-93(58-67-123(108)154(121)140-147-110-42-16-21-47-125(110)152(140)95-34-11-4-12-35-95)138-145-114-61-52-87(77-131(114)160-138)98-40-25-49-127-132(98)148-136(156-127)91-54-63-119-104(72-91)103-69-88(133-141-111-43-17-22-48-126(111)155-133)53-62-118(103)150(119)97-37-24-36-96(78-97)149-116-44-18-13-38-99(116)100-39-14-19-45-117(100)149/h1-80H
InChIKeyXXWUHRIUCTVPQF-UHFFFAOYSA-N
MW2086.41 g/mol
LogP36.87
Rot. Bonds17

About 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole

2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole (PubChem CID 155366256) has the molecular formula C140H80N14O4S2 and a molecular weight of 2086.41 g/mol. Its IUPAC name is 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole
PubChem CID155366256
Molecular FormulaC140H80N14O4S2
Molecular Weight2086.41 g/mol
Exact Mass2084.59
IUPAC Name2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15cccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17cccc(-n%18c%19ccccc%19c%19ccccc%19%18)c%17)nc%15%16)cc%14s%13)ccc%11n%12-c%11nc%12ccccc%12n%11-c%11ccccc%11)oc%10cc9-c9ccccc9)c8)cc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C140H80N14O4S2/c1-5-26-81(27-6-1)84-50-59-112-128(75-84)157-134(142-112)89-55-64-120-105(70-89)107-73-92(57-66-122(107)153(120)139-146-109-41-15-20-46-124(109)151(139)94-32-9-3-10-33-94)137-144-113-60-51-85(76-130(113)159-137)83-30-23-31-86(68-83)101-79-115-129(80-102(101)82-28-7-2-8-29-82)158-135(143-115)90-56-65-121-106(71-90)108-74-93(58-67-123(108)154(121)140-147-110-42-16-21-47-125(110)152(140)95-34-11-4-12-35-95)138-145-114-61-52-87(77-131(114)160-138)98-40-25-49-127-132(98)148-136(156-127)91-54-63-119-104(72-91)103-69-88(133-141-111-43-17-22-48-126(111)155-133)53-62-118(103)150(119)97-37-24-36-96(78-97)149-116-44-18-13-38-99(116)100-39-14-19-45-117(100)149/h1-80H
InChIKeyXXWUHRIUCTVPQF-UHFFFAOYSA-N
XLogP36.87
TPSA185.26 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.41
LogP ≤ 536.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

[2-[7-[6-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-benzothiazol-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-2-yl]-1,3-benzothiazol-6-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314295
24-(1,3-Benzothiazol-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502780
2-[(E)-3-[6-[[4-[(E)-3-[6-[[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1,3-benzothiazol-2-yl]prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1-methylbenzimidazol-2-yl]prop-1-enyl]-3,5,6-trimethylbenzene-1,4-diol
CID 123175298
5-[2-[3-(1,3-Benzothiazol-2-yl)-5-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenyl]-1,3-benzothiazol-6-yl]-2-[3-(1,3-benzoxazol-2-yl)-5-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]phenyl]-1,3-benzoxazole
CID 123472963
6-Phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369559
2-[8-[12-(1,3-Benzothiazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-2-[12-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369561
2-[9-[5-[1-[3-[12-(1-Phenylbenzimidazol-2-yl)-[1]benzothiolo[3,2-a]carbazol-4-yl]phenyl]benzimidazol-2-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzothiolo[2,3-b]carbazol-7-yl]-1,3-benzoxazole
CID 130369565
20-[24-(1,3-Benzothiazol-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-21-yl]-12-(1,3-benzoxazol-2-yl)-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130369647
4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-[12-[2-(12-isoquinolin-5-yl-[1]benzothiolo[2,3-a]carbazol-9-yl)-1-methylbenzimidazol-4-yl]-[1]benzothiolo[2,3-a]carbazol-9-yl]-1,3-benzoxazole
CID 130369698
24-Phenyl-29-[15-(3-phenylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl]-3-oxa-24,29-diazaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
CID 130381866
28-[4-(9-Phenylcarbazol-2-yl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-3-oxa-28-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 131979475
3-(3-Dibenzofuran-3-yl-[1]benzothiolo[2,3-b]pyrazin-2-yl)-28-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 132080890

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole (CID 155366256) is 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(-c8cccc(-c9cc%10nc(-c%11ccc%12c(c%11)c%11cc(-c%13nc%14ccc(-c%15cccc%16oc(-c%17ccc%18c(c%17)c%17cc(-c%19nc%20ccccc%20o%19)ccc%17n%18-c%17cccc(-n%18c%19ccccc%19c%19ccccc%19%18)c%17)nc%15%16)cc%14s%13)ccc%11n%12-c%11nc%12ccccc%12n%11-c%11ccccc%11)oc%10cc9-c9ccccc9)c8)cc7s6)ccc4n5-c4nc5ccccc5n4-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole?
The InChIKey is XXWUHRIUCTVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H80N14O4S2/c1-5-26-81(27-6-1)84-50-59-112-128(75-84)157-134(142-112)89-55-64-120-105(70-89)107-73-92(57-66-122(107)153(120)139-146-109-41-15-20-46-124(109)151(139)94-32-9-3-10-33-94)137-144-113-60-51-85(76-130(113)159-137)83-30-23-31-86(68-83)101-79-115-129(80-102(101)82-28-7-2-8-29-82)158-135(143-115)90-56-65-121-106(71-90)108-74-93(58-67-123(108)154(121)140-147-110-42-16-21-47-125(110)152(140)95-34-11-4-12-35-95)138-145-114-61-52-87(77-131(114)160-138)98-40-25-49-127-132(98)148-136(156-127)91-54-63-119-104(72-91)103-69-88(133-141-111-43-17-22-48-126(111)155-133)53-62-118(103)150(119)97-37-24-36-96(78-97)149-116-44-18-13-38-99(116)100-39-14-19-45-117(100)149/h1-80H.
What are the key properties of 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole?
2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole has a molecular weight of 2086.41 g/mol, XLogP of 36.87, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[2-[6-(1,3-benzoxazol-2-yl)-9-(3-carbazol-9-ylphenyl)carbazol-3-yl]-1,3-benzoxazol-4-yl]-1,3-benzothiazol-2-yl]-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-phenyl-5-[3-[2-[9-(1-phenylbenzimidazol-2-yl)-6-(6-phenyl-1,3-benzoxazol-2-yl)carbazol-3-yl]-1,3-benzothiazol-6-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 155366256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).